4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one hydrochloride

Systemtic Name: 4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one hydrochloride Openeye Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one hydrochloride CAS Name: 4-[(7-bromo-2H-1-benzopyran-3-yl)sulfonyl]-1-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone hydrochloride IUPAC Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one hydrochloride Traditional Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one hydrochloride Formula: C24H29BrClN5O4S MolecularWeight: 598.94016

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Br)OC4.Cl

Isomeric SMILES

CN(C1CCN(CC1)C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Br)OC4.Cl

InChI

InChI=1S/C24H28BrN5O4S.ClH/c1-27(20-6-10-28(11-7-20)21-4-8-26-9-5-21)30-13-12-29(16-24(30)31)35(32,33)22-14-18-2-3-19(25)15-23(18)34-17-22;/h2-5,8-9,14-15,20H,6-7,10-13,16-17H2,1H3;1H